3,5-Dithia-1,7-heptanediol - ≥96% , CAS No.44860-68-6

CAS: 44860-68-6 Cat. No.: D735379 Formula: C₅H₁₂O₂S₂ Peso molecolare: 168.28 Numero EC: 256-166-1

GRADE & PURITY ≥96%

Synonyms

2,2'-(Methylenebis(sulfanediyl))diethanol | 2,2'-(Methanediyldisulfanediyl)diethanol | EINECS 256-166-1 | DTXSID0044945

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

2,2'-(Methylenebis(sulfanediyl))diethanol | 2,2'-(Methanediyldisulfanediyl)diethanol | EINECS 256-166-1 | DTXSID0044945

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

528758020

Sorrisi canonici

C(CSCSCCO)O

IUPAC Name

2-(2-hydroxyethylsulfanylmethylsulfanyl)ethanol

InChIKey

GAECBAMNQFGJIM-UHFFFAOYSA-N

INCHI

1S/C5H12O2S2/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2

Isomeri SMILES

C(CSCSCCO)O

CAS alternativo

44860-68-6

Numero NSC

2875

Termini MeSH

bis(2-hydroxyethylthio)methane

Peso molecolare

168.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioacetals
      • Subclass Dithioacetals

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioacetals
• Subclass: Dithioacetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithioacetals
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioacetal - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dithioacetals. These are compounds containing a dithioacetal functional group with the general structure R2C(SR')2.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 168.300 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 168.028 Da
• Monoisotopic Mass: 168.028 Da
• Topological Polar Surface Area: 91.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 46.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1